3-azanyl-5-(6-azanyl-4-phenylazanyl-2H-1,3,5-triazin-1-yl)-2-[(E)-2-[4-(6-azanyl-4-phenylazanyl-2H-1,3,5-triazin-1-yl)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 3-azanyl-5-(6-azanyl-4-phenylazanyl-2H-1,3,5-triazin-1-yl)-2-[(E)-2-[4-(6-azanyl-4-phenylazanyl-2H-1,3,5-triazin-1-yl)-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 3-amino-5-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-[(E)-2-[4-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 3-amino-5-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-[(E)-2-[4-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 3-amino-5-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-[(E)-2-[4-(6-amino-4-anilino-2H-1,3,5-triazin-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 3-amino-5-(6-amino-4-anilino-2H-s-triazin-1-yl)-2-[(E)-2-[4-(6-amino-4-anilino-2H-s-triazin-1-yl)-2-sulfo-phenyl]vinyl]besylic acid Formula: C32H31N11O6S2 MolecularWeight: 729.78864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4N)NC5=CC=CC=C5)N)S(=O)(=O)O)N)NC6=CC=CC=C6

Isomeric SMILES

C1N=C(N=C(N1C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4N)NC5=CC=CC=C5)N)S(=O)(=O)O)N)NC6=CC=CC=C6

InChI

InChI=1S/C32H31N11O6S2/c33-26-15-24(43-19-37-32(41-30(43)35)39-22-9-5-2-6-10-22)17-28(51(47,48)49)25(26)14-12-20-11-13-23(16-27(20)50(44,45)46)42-18-36-31(40-29(42)34)38-21-7-3-1-4-8-21/h1-17H,18-19,33H2,(H,44,45,46)(H,47,48,49)(H3,34,36,38,40)(H3,35,37,39,41)/b14-12+